Code for numerical experiments on learning committor functions
☆11Aug 11, 2020Updated 6 years ago
Alternatives and similar repositories for learning-committor
Users that are interested in learning-committor are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Parallelizable Gaussian Accelerated Molecular Dynamics☆11Mar 20, 2026Updated 7 months ago
- spatialstats is collection of statistical tools and utility routines used to analyze the multi-scale structure of 2D and 3D spatial field…☆12Aug 2, 2022Updated 4 years ago
- Tutorials on doing AMBER based Metadynamics and Gaussian Accelerated MD (GaMD)☆13Dec 1, 2025Updated 11 months ago
- ☆12Jun 25, 2024Updated 2 years ago
- ☆14Sep 18, 2023Updated 3 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- TOTP authentication for Python, the command line, and automation.☆12Updated this week
- In this work we present a task-agnostic Multimodal Variational Aversarial Active Learning (M-VAAL) for sampling the most informative samp…☆13Jun 23, 2023Updated 3 years ago
- ☆17Jul 28, 2022Updated 4 years ago
- LEGO-Cryst: Local Environment Geometry-Oriented Crystal Generator☆14Sep 28, 2026Updated last month
- ☆12Dec 22, 2020Updated 5 years ago
- PyTorch implementation of "A Simple Baseline for Low-Budget Active Learning".☆14Dec 22, 2021Updated 4 years ago
- Cavity molecular dynamics simulations for vibrational strong and ultrastrong coupling, including code implementation, job submission, dat…☆16Jun 26, 2025Updated last year
- Tools to interface ChIMES with various external codes.☆26Jun 30, 2026Updated 4 months ago
- pmlb is an R interface to the Penn Machine Learning Benchmarks data repository☆11Mar 11, 2025Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Plugin for continuous conformational flexibility analysis containing HEMNMA, StructMap, HEMNMA-3D, TomoFlow, NMMD, and DeepHEMNMA for in …☆10May 19, 2026Updated 5 months ago
- ☆13Jan 18, 2024Updated 2 years ago
- Machines and people collaborating together through Jupyter notebooks.☆18Aug 24, 2017Updated 9 years ago
- Scale-Space Toolbox for Python☆12Jan 29, 2025Updated last year
- Robust Inference-Time Steering of Protein Diffusion Models via Embedding Optimization☆20Apr 27, 2026Updated 6 months ago
- LED-Cube framework and editor for easier streaming and uploading of animations☆13Feb 27, 2021Updated 5 years ago
- ☆15Aug 12, 2022Updated 4 years ago
- Frontend for https://meaningfulcode.org, promoting open-source for good projects to contribute to.☆18Nov 20, 2024Updated last year
- Finds the committor function, the reactive current, and the transition rate for 2D problems using finite element method on mesh generated…☆11Jun 6, 2023Updated 3 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Stochastic Mirror Descent on CIFAR-10☆20Jul 3, 2019Updated 7 years ago
- ☆10Apr 20, 2022Updated 4 years ago
- Basic Applied Topology Subprograms☆13Jul 12, 2022Updated 4 years ago
- Barnes-Hut n-body simulation with WASM☆19Sep 20, 2018Updated 8 years ago
- ☆16Oct 2, 2022Updated 4 years ago
- Locally-Scaled Diffusion Maps, DM-d-MD☆12May 12, 2016Updated 10 years ago
- Metric Space Magnitude Computations☆15Jun 30, 2026Updated 4 months ago
- R package for fast maximum-likelihood estimation of mixture proportions using SQP.☆11Dec 21, 2023Updated 2 years ago
- Material for the 3rd i-CoMSE Workshop: Methods for Advanced Sampling☆43May 1, 2023Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- R package for dataset generation and benchmarking☆22Jan 20, 2020Updated 6 years ago
- A blazing-fast and type-safe STAR file IO powered by Rust☆13Sep 22, 2026Updated last month
- The Inaugural Flatiron Institute Cryo-EM Heterogeneity Community Challenge☆12Oct 9, 2026Updated 3 weeks ago
- ☆19Mar 6, 2024Updated 2 years ago
- Image super resolution using deep convolutional neural networks.☆17Oct 11, 2022Updated 4 years ago
- Lectures on Stochastic Thermodynamics (Chem220b)☆13May 4, 2023Updated 3 years ago
- Massively parallel hybrid particle-field molecular dynamics (hPF-MD) simulation method in Julia☆12Jan 14, 2022Updated 4 years ago